(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

C13H16O3 — CID 102291658

IUPAC(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@H]1O[C@H](OCc2ccccc2)C=C[C@@H]1O
InChIInChI=1S/C13H16O3/c1-10-12(14)7-8-13(16-10)15-9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/t10-,12+,13+/m1/s1
InChIKeyATULGSKPHOMODJ-WXHSDQCUSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds3

About (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 102291658) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID102291658
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC[C@H]1O[C@H](OCc2ccccc2)C=C[C@@H]1O
InChIInChI=1S/C13H16O3/c1-10-12(14)7-8-13(16-10)15-9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/t10-,12+,13+/m1/s1
InChIKeyATULGSKPHOMODJ-WXHSDQCUSA-N
XLogP1.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880705
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (CID 102291658) is (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is C[C@H]1O[C@H](OCc2ccccc2)C=C[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is ATULGSKPHOMODJ-WXHSDQCUSA-N. The full InChI is InChI=1S/C13H16O3/c1-10-12(14)7-8-13(16-10)15-9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3/t10-,12+,13+/m1/s1.
What are the key properties of (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 220.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 102291658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).